2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide
Thuốc Gốc
Small Molecule
CTHH: C18H22ClN3O3S
PTK: 395.904
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
395.904
Monoisotopic mass
395.107039982
InChI
InChI=1S/C18H22ClN3O3S/c1-4-22(5-2)18(23)12-14-8-6-11-17(20-14)21-26(24,25)16-10-7-9-15(19)13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,21)
InChI Key
InChIKey=JNWQLOFSMUGRNY-UHFFFAOYSA-N
IUPAC Name
2-{6-[(3-chloro-2-methylbenzene)sulfonamido]pyridin-2-yl}-N,N-diethylacetamide
Traditional IUPAC Name
2-[6-(3-chloro-2-methylbenzenesulfonamido)pyridin-2-yl]-N,N-diethylacetamide
SMILES
CCN(CC)C(=O)CC1=CC=CC(NS(=O)(=O)C2=C(C)C(Cl)=CC=C2)=N1
Độ hòa tan
8.37e-02 g/l
logP
3.33
logS
-3.7
pKa (strongest acidic)
6.8
pKa (Strongest Basic)
1.68
PSA
79.37 Å2
Refractivity
102.94 m3·mol-1
Polarizability
40.28 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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